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Compound Detail

CHEMBL3956201

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Cl.O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3956201
Phase Preclinical
Structure Type MOL
InChI Key JGOQZTWKZOWAQT-UHFFFAOYSA-N
Parent Compound CHEMBL599833
Active Moiety CHEMBL599833
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

529.5
MW (Da)
7.45
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31Cl3N2O
MW 565.97
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine